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OB, Avogadro and Molecular Modelling | timvdm.blogspot.com Reviews
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MolDB: Cheminformatics tools
http://www.opensmarts.org/helium.html
Helium A lightweight cheminformatics toolkit. The list below contains some general information about the project. Cross-platform (Linux, Mac OSX, Windows). Modular and flexible design ( C generic programming using templates. Helium release 0.1.0 contains the following features:. Algorithms: depth-first and breath-first search, canonicalization, Morgan's extended connectivities, relevant cycles, path/tree/subgraph based fingerprints. The current release is version 0.2.0 which can be downloaded here. If yo...
MolDB: Cheminformatics tools
http://www.opensmarts.org/smiley.html
Smiley A SMILES/SMARTS parser. Single C 03 header file. Custom functors to handle events. Cross-platform (Linux, Mac OSX, Windows). Smiley reports both syntax and semantics errors by throwing exceptions containing a description of the error, a unique error code, the position and the length of the error in the SMILES/SMARTS string. The smiley source code is hosted on github. The documentation can be found here. Bugs can be reported using the github issue tracker.
MolDB: Cheminformatics tools
http://www.opensmarts.org/index.html
Helium 0.2 Released. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. The release notes contain more details about this second release. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. Smiley is SMILES/SMARTS parser written in C . It strictly adheres to the OpenSMILES specification although less strict parsing can optionally be enabled.
MolDB: Cheminformatics tools
http://www.moldb.net/helium.html
Helium A lightweight cheminformatics toolkit. The list below contains some general information about the project. Cross-platform (Linux, Mac OSX, Windows). Modular and flexible design ( C generic programming using templates. Helium release 0.1.0 contains the following features:. Algorithms: depth-first and breath-first search, canonicalization, Morgan's extended connectivities, relevant cycles, path/tree/subgraph based fingerprints. The current release is version 0.2.0 which can be downloaded here. If yo...
chemicalblogspace.blogspot.com
The Chemical blogspace Blog: April 2008
http://chemicalblogspace.blogspot.com/2008_04_01_archive.html
The Chemical blogspace Blog. This blog is used to announce changes in the Chemical Blogspace aggregator. Friday, April 25, 2008. Has it already been 6 months since New Blogs #8. Time flies. 22 new blogs since then:. NMR Analysis, Processing and Prediction. Drug Discovery with Quantum Pharmaceuticals. Tim Vandermeersch's chemical blog. Some kind of blog. Daneel Ariantho's laboratory Chemistry. Chempedia.net: The Daily Molecule. Philosophy to Chemistry to Elucidation. Posted by Egon Willighagen.
Credits – Avogadro
http://avogadro.org/credits
Avogadro - the advanced molecular editor and visualizer. Avogadro, like many open source projects is helped by a cast of many. We are fundamentally a community project and aim to offer open development, responsive to users and contributors alike. Our hope is that many will build plugins on top of the core Avogadro framework, so we are very grateful to all contributors:. All the Avogadro Translators. Google Summer of Code. Support in 2007, 2008, and 2011. Through the Cottrell Scholar Award.
MolDB: Cheminformatics tools
http://www.moldb.net/smiley.html
Smiley A SMILES/SMARTS parser. Single C 03 header file. Custom functors to handle events. Cross-platform (Linux, Mac OSX, Windows). Smiley reports both syntax and semantics errors by throwing exceptions containing a description of the error, a unique error code, the position and the length of the error in the SMILES/SMARTS string. The smiley source code is hosted on github. The documentation can be found here. Bugs can be reported using the github issue tracker.
MolDB: Cheminformatics tools
http://www.moldb.net/index.html
Helium 0.2 Released. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. The release notes contain more details about this second release. Helium is a lightweight cheminformatics toolkit. It uses C generic programming to allow for maximal flexibility and code reuse. Smiley is SMILES/SMARTS parser written in C . It strictly adheres to the OpenSMILES specification although less strict parsing can optionally be enabled.
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OB, Avogadro and Molecular Modelling
Timvdvegt.nl - Home
Hey mensen ik ben Tim, welkom op mijn site! Ik heb deze website om mijn “website skills” te oefenen, en om dingen aan mensen te laten zien. Op de pagina over mij vertel ik wat over mezelf, en bij reacties kan je een berichtje achterlaten, het spreekt allemaal voor zich! Tim van der Vegt 2011 - 2015.
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